N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide

C20H22F2N2O2S — CID 2165238

IUPACN-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C20H22F2N2O2S/c21-17-5-1-15(2-6-17)13-23-19(25)9-11-27-12-10-20(26)24-14-16-3-7-18(22)8-4-16/h1-8H,9-14H2,(H,23,25)(H,24,26)
InChIKeyDQAXACMEMJREKB-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.41
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide

N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide (PubChem CID 2165238) has the molecular formula C20H22F2N2O2S and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide
PubChem CID2165238
Molecular FormulaC20H22F2N2O2S
Molecular Weight392.47 g/mol
Exact Mass392.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C20H22F2N2O2S/c21-17-5-1-15(2-6-17)13-23-19(25)9-11-27-12-10-20(26)24-14-16-3-7-18(22)8-4-16/h1-8H,9-14H2,(H,23,25)(H,24,26)
InChIKeyDQAXACMEMJREKB-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide (CID 2165238) is N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide is O=C(CCSCCC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide?
The InChIKey is DQAXACMEMJREKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2S/c21-17-5-1-15(2-6-17)13-23-19(25)9-11-27-12-10-20(26)24-14-16-3-7-18(22)8-4-16/h1-8H,9-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide?
N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide has a molecular weight of 392.47 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 2165238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).